Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00053725
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.7 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.7 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.7 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.7 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.7 | |
PVS | (ethenylsulfonyl)benzene | A | 3BLU | 0.74 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.82 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.82 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.82 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.82 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.73 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.72 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.7 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.7 | |
F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2G72 | 0.71 | |
F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2OPB | 0.71 | |
SML | PHENYL METHYL SULFONE | A,I | 1D6W | 0.73 | |
SML | PHENYL METHYL SULFONE | A,I | 1D9I | 0.73 | |
SKF | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE- 7-SULFONIC ACID AMIDE | A,B | 1HNN | 0.72 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D73 | 0.76 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3D77 | 0.76 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D78 | 0.76 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3CZ1 | 0.76 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3D75 | 0.76 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3D76 | 0.76 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3BJH | 0.76 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D74 | 0.76 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.78 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.78 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.78 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.78 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.77 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.77 | |
ZYX | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.8 | |
AM4 | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE | A | 1TX8 | 0.75 | |
AL5 | THIOPHENE-2,5-DISULFONIC ACID 2- AMIDE-5-(4-METHYL-BENZYLAMIDE) | A | 1BN1 | 0.74 | |
MAJ | indane-5-sulfonamide | A | 2QOA | 0.71 | |
TOS | P-SULFINOTOLUENE | H | 1ETT | 0.72 | |
TOS | P-SULFINOTOLUENE | I | 4PAD | 0.72 | |
TOS | P-SULFINOTOLUENE | A | 1EST | 0.72 | |
TOS | P-SULFINOTOLUENE | C,G | 2CHA | 0.72 | |
TOS | P-SULFINOTOLUENE | E | 1PPH | 0.72 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.72 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.72 | |
TSU | PARA-TOLUENE SULFONATE | A,B | 1WUW | 0.73 | |
TSU | PARA-TOLUENE SULFONATE | A | 1B0D | 0.73 |